The process of hunt of a lead molecule is a long and a tedious process and one is often
demoralized by the endless possibilities one has to search through. Fortunately …

It is generally recognized that drug discovery and development are very time and resources
consuming processes. There is an ever growing effort to apply computational power to the …

A polymer chain of N atoms enjoys 3N-6 internal degrees of freedom, which gives rise to
infinitely many conformations. Even a simple model of N) 100 atoms where bond lengths …

G protein–coupled receptors (GPCRs) are intensely studied as drug targets and for their role
in signaling. With the determination of the first crystal structures, interest in structure-based …

Dopamine (DA) is a critical neurotransmitter in the mammalian central nervous system
(CNS). The cerebral dopaminergic system is implicated in the pathophysiology of several …

The recent crystal structure determinations of druggable class AG protein-coupled receptors
(GPCRs) have opened up excellent opportunities in structure-based ligand discovery for this …

Virtual screening has played a significant role in the discovery of small molecule inhibitors of
therapeutic targets in last two decades. Various ligand and structure-based virtual screening …

In this paper, we describe homology modeling of the alpha1A receptor based on the X-ray
structure of bovine rhodopsin. The protein model has been generated by applying ligand …

A broad variety of medicinal chemistry approaches can be used for the identification of hits,
generation of leads, as well as to accelerate the development of high quality drug …

Dopamine receptors (DR) have been extensively studied, but only in recent years they
became object of investigation to elucidate the specific role of different subtypes (D1R, D2R …